(4R)-1-[(4-hydroxycyclohexyl)methyl]-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-4-phenylimidazolidin-2-one

C27H42N4O2 — CID 68877423

IUPAC(4R)-1-[(4-hydroxycyclohexyl)methyl]-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-4-phenylimidazolidin-2-one
SMILESCC1(N2CCC(N3C(=O)N(CC4CCC(O)CC4)C[C@H]3c3ccccc3)CC2)CCNCC1
InChIInChI=1S/C27H42N4O2/c1-27(13-15-28-16-14-27)30-17-11-23(12-18-30)31-25(22-5-3-2-4-6-22)20-29(26(31)33)19-21-7-9-24(32)10-8-21/h2-6,21,23-25,28,32H,7-20H2,1H3/t21?,24?,25-/m0/s1
InChIKeyVEOPNSIIBSKULF-MTQWGCILSA-N
MW454.66 g/mol
LogP3.62
Rot. Bonds5

About (4R)-1-[(4-hydroxycyclohexyl)methyl]-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-4-phenylimidazolidin-2-one

(4R)-1-[(4-hydroxycyclohexyl)methyl]-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-4-phenylimidazolidin-2-one (PubChem CID 68877423) has the molecular formula C27H42N4O2 and a molecular weight of 454.66 g/mol. Its IUPAC name is (4R)-1-[(4-hydroxycyclohexyl)methyl]-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name(4R)-1-[(4-hydroxycyclohexyl)methyl]-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-4-phenylimidazolidin-2-one
PubChem CID68877423
Molecular FormulaC27H42N4O2
Molecular Weight454.66 g/mol
Exact Mass454.33
IUPAC Name(4R)-1-[(4-hydroxycyclohexyl)methyl]-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-4-phenylimidazolidin-2-one
SMILESCC1(N2CCC(N3C(=O)N(CC4CCC(O)CC4)C[C@H]3c3ccccc3)CC2)CCNCC1
InChIInChI=1S/C27H42N4O2/c1-27(13-15-28-16-14-27)30-17-11-23(12-18-30)31-25(22-5-3-2-4-6-22)20-29(26(31)33)19-21-7-9-24(32)10-8-21/h2-6,21,23-25,28,32H,7-20H2,1H3/t21?,24?,25-/m0/s1
InChIKeyVEOPNSIIBSKULF-MTQWGCILSA-N
XLogP3.62
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.66
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-[(4-hydroxycyclohexyl)methyl]-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-4-phenylimidazolidin-2-one?
The IUPAC name of (4R)-1-[(4-hydroxycyclohexyl)methyl]-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-4-phenylimidazolidin-2-one (CID 68877423) is (4R)-1-[(4-hydroxycyclohexyl)methyl]-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-4-phenylimidazolidin-2-one.
What is the SMILES notation for (4R)-1-[(4-hydroxycyclohexyl)methyl]-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-4-phenylimidazolidin-2-one?
The canonical SMILES for (4R)-1-[(4-hydroxycyclohexyl)methyl]-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-4-phenylimidazolidin-2-one is CC1(N2CCC(N3C(=O)N(CC4CCC(O)CC4)C[C@H]3c3ccccc3)CC2)CCNCC1.
What is the InChIKey of (4R)-1-[(4-hydroxycyclohexyl)methyl]-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-4-phenylimidazolidin-2-one?
The InChIKey is VEOPNSIIBSKULF-MTQWGCILSA-N. The full InChI is InChI=1S/C27H42N4O2/c1-27(13-15-28-16-14-27)30-17-11-23(12-18-30)31-25(22-5-3-2-4-6-22)20-29(26(31)33)19-21-7-9-24(32)10-8-21/h2-6,21,23-25,28,32H,7-20H2,1H3/t21?,24?,25-/m0/s1.
What are the key properties of (4R)-1-[(4-hydroxycyclohexyl)methyl]-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-4-phenylimidazolidin-2-one?
(4R)-1-[(4-hydroxycyclohexyl)methyl]-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-4-phenylimidazolidin-2-one has a molecular weight of 454.66 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[(4-hydroxycyclohexyl)methyl]-3-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]-4-phenylimidazolidin-2-one is sourced from PubChem (CID 68877423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).